Dimethyl 4-(acetylamino)-5-nitroisophthalate
TL;DR: Dimethyl 4-(acetylamino)-5-nitroisophthalate (CAS 342044-33-1) is a chemical compound with molecular formula C12H12N2O7 and molecular weight 296.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 4-acetamido-5-nitrobenzene-1,3-dicarboxylate
Also Known As: dimethyl 4-(acetylamino)-5-nitroisophthalate, dimethyl 4-acetamido-5-nitrobenzene-1,3-dicarboxylate, AE-562/12222371
| Molecular Formula | C12H12N2O7 |
|---|---|
| Molecular Weight | 296.06 g/mol |
| LogP | 1.1264 |
| Topological Polar Surface Area | 124.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 296.06445 |
| Heavy Atoms | 21 |
| Complexity | 624.2771 |
Chemical Identifiers
| CAS Number | 342044-33-1 |
|---|---|
| SMILES | CC(=O)NC1=C(C=C(C=C1[N+](=O)[O-])C(=O)OC)C(=O)OC |
Product Overview
Dimethyl 4-(acetylamino)-5-nitroisophthalate (CAS 342044-33-1), with molecular formula C12H12N2O7 and molecular weight 296.06 g/mol. IUPAC: dimethyl 4-acetamido-5-nitrobenzene-1,3-dicarboxylate.
Chemical Property Profile of Dimethyl 4-(acetylamino)-5-nitroisophthalate
Property Insights of Dimethyl 4-(acetylamino)-5-nitroisophthalate
The XLogP value of 1.1264 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 4-(acetylamino)-5-nitroisophthalate. The TPSA of 124.84 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 4-(acetylamino)-5-nitroisophthalate. Following Lipinski's Rule of Five, Dimethyl 4-(acetylamino)-5-nitroisophthalate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dimethyl 4-(acetylamino)-5-nitroisophthalate?
The CAS number of Dimethyl 4-(acetylamino)-5-nitroisophthalate is 342044-33-1.
What is the molecular formula of Dimethyl 4-(acetylamino)-5-nitroisophthalate?
The molecular formula of Dimethyl 4-(acetylamino)-5-nitroisophthalate is C12H12N2O7.
What is the molecular weight of Dimethyl 4-(acetylamino)-5-nitroisophthalate?
The molecular weight of Dimethyl 4-(acetylamino)-5-nitroisophthalate is 296.06 g/mol.
Where can I buy Dimethyl 4-(acetylamino)-5-nitroisophthalate?
You can request a quote for Dimethyl 4-(acetylamino)-5-nitroisophthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 4-(acetylamino)-5-nitroisophthalate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 4-(acetylamino)-5-nitroisophthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.